General Information of the Compound
| Compound ID |
CP0477134
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| Compound Name |
2-{5-[4-chloro-3- (trifluoromethyl)phenyl]-1- methyl-1H-imidazol-4- yl}pyridine-4-carboxylic acid
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| Structure |
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| Formula |
C17H11ClF3N3O2
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| Molecular Weight |
381.741
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| Canonical SMILES |
Cn1cnc(c1-c1ccc(Cl)c(c1)C(F)(F)F)-c1cc(ccn1)C(O)=O
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| InChI |
InChI=1S/C17H11ClF3N3O2/c1-24-8-23-14(13-7-10(16(25)26)4-5-22-13)15(24)9-2-3-12(18)11(6-9)17(19,20)21/h2-8H,1H3,(H,25,26)
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| InChIKey |
JBWWGJIWGUVEJH-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03776, Lysine-specific demethylase 2B
Protein ID: PT02979, Lysine-specific demethylase 4C
Protein ID: PT02613, Lysine-specific demethylase 5A
Protein ID: PT03382, Lysine-specific demethylase 5B